2-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl propan-2-yl carbonate

Systemtic Name: 2-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl propan-2-yl carbonate Openeye Name: 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]ethyl isopropyl carbonate CAS Name: carbonic acid 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitrophenyl)azoanilino]ethyl propan-2-yl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl propan-2-yl carbonate Traditional Name: carbonic acid 2-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]ethyl isopropyl ester Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)OC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H22N6O5/c1-16(2)33-22(29)32-13-12-27(11-3-10-23)19-6-4-18(5-7-19)25-26-21-9-8-20(28(30)31)14-17(21)15-24/h4-9,14,16H,3,11-13H2,1-2H3